CID 45054399

763109-73-5

Structural Information

Molecular Formula
C10H4Cl2FNO3
SMILES
C1=C(C(=CC(=C1F)Cl)Cl)C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C10H4Cl2FNO3/c11-5-2-6(12)7(13)1-4(5)9-3-8(10(15)16)14-17-9/h1-3H,(H,15,16)
InChIKey
GYGRZIHMRZATQY-UHFFFAOYSA-N
Compound name
5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.95523 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96251 150.3
[M+Na]+ 297.94445 162.8
[M-H]- 273.94795 154.4
[M+NH4]+ 292.98905 166.7
[M+K]+ 313.91839 157.9
[M+H-H2O]+ 257.95249 144.4
[M+HCOO]- 319.95343 162.0
[M+CH3COO]- 333.96908 191.9
[M+Na-2H]- 295.92990 152.6
[M]+ 274.95468 154.7
[M]- 274.95578 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.